3-(ethylcarbamoylamino)propyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate

C16H20FN3O4 — CID 91642525

IUPAC3-(ethylcarbamoylamino)propyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
SMILESCCNC(=O)NCCCOC(=O)C1CC(=O)Nc2cc(F)ccc21
InChIInChI=1S/C16H20FN3O4/c1-2-18-16(23)19-6-3-7-24-15(22)12-9-14(21)20-13-8-10(17)4-5-11(12)13/h4-5,8,12H,2-3,6-7,9H2,1H3,(H,20,21)(H2,18,19,23)
InChIKeyYPJVSTMWIMOMLK-UHFFFAOYSA-N
MW337.35 g/mol
LogP1.50
Rot. Bonds6

About 3-(ethylcarbamoylamino)propyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate

3-(ethylcarbamoylamino)propyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate (PubChem CID 91642525) has the molecular formula C16H20FN3O4 and a molecular weight of 337.35 g/mol. Its IUPAC name is 3-(ethylcarbamoylamino)propyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name3-(ethylcarbamoylamino)propyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
PubChem CID91642525
Molecular FormulaC16H20FN3O4
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name3-(ethylcarbamoylamino)propyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
SMILESCCNC(=O)NCCCOC(=O)C1CC(=O)Nc2cc(F)ccc21
InChIInChI=1S/C16H20FN3O4/c1-2-18-16(23)19-6-3-7-24-15(22)12-9-14(21)20-13-8-10(17)4-5-11(12)13/h4-5,8,12H,2-3,6-7,9H2,1H3,(H,20,21)(H2,18,19,23)
InChIKeyYPJVSTMWIMOMLK-UHFFFAOYSA-N
XLogP1.50
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(ethylcarbamoylamino)propyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(ethylcarbamoylamino)propyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The IUPAC name of 3-(ethylcarbamoylamino)propyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate (CID 91642525) is 3-(ethylcarbamoylamino)propyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate.
What is the SMILES notation for 3-(ethylcarbamoylamino)propyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The canonical SMILES for 3-(ethylcarbamoylamino)propyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate is CCNC(=O)NCCCOC(=O)C1CC(=O)Nc2cc(F)ccc21.
What is the InChIKey of 3-(ethylcarbamoylamino)propyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The InChIKey is YPJVSTMWIMOMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O4/c1-2-18-16(23)19-6-3-7-24-15(22)12-9-14(21)20-13-8-10(17)4-5-11(12)13/h4-5,8,12H,2-3,6-7,9H2,1H3,(H,20,21)(H2,18,19,23).
What are the key properties of 3-(ethylcarbamoylamino)propyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
3-(ethylcarbamoylamino)propyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate has a molecular weight of 337.35 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylcarbamoylamino)propyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate is sourced from PubChem (CID 91642525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).